2,3-bis(trimethylsilyloxy)propyl hexanoate

C15H34O4Si2 — CID 91751334

IUPAC2,3-bis(trimethylsilyloxy)propyl hexanoate
SMILESCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H34O4Si2/c1-8-9-10-11-15(16)17-12-14(19-21(5,6)7)13-18-20(2,3)4/h14H,8-13H2,1-7H3
InChIKeyZEUXMYZVZGHSML-UHFFFAOYSA-N
MW334.61 g/mol
LogP4.18
Rot. Bonds11

About 2,3-bis(trimethylsilyloxy)propyl hexanoate

2,3-bis(trimethylsilyloxy)propyl hexanoate (PubChem CID 91751334) has the molecular formula C15H34O4Si2 and a molecular weight of 334.61 g/mol. Its IUPAC name is 2,3-bis(trimethylsilyloxy)propyl hexanoate.

Molecular Properties

Compound Name2,3-bis(trimethylsilyloxy)propyl hexanoate
PubChem CID91751334
Molecular FormulaC15H34O4Si2
Molecular Weight334.61 g/mol
Exact Mass334.20
IUPAC Name2,3-bis(trimethylsilyloxy)propyl hexanoate
SMILESCCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H34O4Si2/c1-8-9-10-11-15(16)17-12-14(19-21(5,6)7)13-18-20(2,3)4/h14H,8-13H2,1-7H3
InChIKeyZEUXMYZVZGHSML-UHFFFAOYSA-N
XLogP4.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.61
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Tricaproin
CID 12131
2,3-Bis[(trimethylsilyl)oxy]propyl icosanoate
CID 537899
2,3-Bis(trimethylsilyloxy)propyl hexadecanoate
CID 552033
Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 552917
2,3-Bis[(trimethylsilyl)oxy]propyl stearate
CID 553936
1,2-Dipalmitoyl-3-trimethylsilyl-glycerol
CID 628580
2,3-Bis[(trimethylsilyl)oxy]propyl dodecanoate
CID 628819
1,3-Dipalmitin trimethylsilyl ether
CID 632872
2,3-Bis[(trimethylsilyl)oxy]propyl octanoate
CID 552892
Decanoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 552918
2-[(Trimethylsilyl)oxy]-1-([(trimethylsilyl)oxy]methyl)ethyl myristate
CID 553495
2,3-Bis[(trimethylsilyl)oxy]propyl decanoate
CID 553723

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trimethylsilyloxy)propyl hexanoate?
The IUPAC name of 2,3-bis(trimethylsilyloxy)propyl hexanoate (CID 91751334) is 2,3-bis(trimethylsilyloxy)propyl hexanoate.
What is the SMILES notation for 2,3-bis(trimethylsilyloxy)propyl hexanoate?
The canonical SMILES for 2,3-bis(trimethylsilyloxy)propyl hexanoate is CCCCCC(=O)OCC(CO[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2,3-bis(trimethylsilyloxy)propyl hexanoate?
The InChIKey is ZEUXMYZVZGHSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O4Si2/c1-8-9-10-11-15(16)17-12-14(19-21(5,6)7)13-18-20(2,3)4/h14H,8-13H2,1-7H3.
What are the key properties of 2,3-bis(trimethylsilyloxy)propyl hexanoate?
2,3-bis(trimethylsilyloxy)propyl hexanoate has a molecular weight of 334.61 g/mol, XLogP of 4.18, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trimethylsilyloxy)propyl hexanoate is sourced from PubChem (CID 91751334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).